3,4-dichloro-N-[3-cyano-4-(methylsulfanyl)phenyl]benzamide

3,4-dichloro-N-[3-cyano-4-(methylsulfanyl)phenyl]benzamide

CAS: 306980-81-4

Formula: C15H10Cl2N2OS

SMILES: CSC1=C(C=C(NC(=O)C2=CC(Cl)=C(Cl)C=C2)C=C1)C#N

IUPAC: 3,4-dichloro-N-[3-cyano-4-(methylsulfanyl)phenyl]benzamide

InChI: InChI=1S/C15H10Cl2N2OS/c1-21-14-5-3-11(6-10(14)8-18)19-15(20)9-2-4-12(16)13(17)7-9/h2-7H,1H3,(H,19,20)

Composition: C (53.43%), H (2.99%), Cl (21.02%), N (8.31%), O (4.74%), S (9.51%)

Molar Mass: 337.22

Atom Count: 31

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	335.9890895
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SVBLLKISSBSPCS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.68
Topological Polar Surface Area	52.89
Polarizability	33.45
Ring Count	2
Rotatable Bond Count	3

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